SCHEMBL20139894

SCHEMBL20139894

Cc1c(CN2CCN(c3ccccc3C#N)CC2)cccc1C(=O)N1CCN(c2ccc(F)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.47
RPTOR Q8N122 5/20 0.47
MLST8 Q9BVC4 5/20 0.47
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
SLC27A1 Q6PCB7 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RET P07949 3/20 0.41
PARP1 P09874 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
PRKAA2 P54646 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20156964 0.88 MTOR (0.49) MTORRPTORMLST8KDM4ELMNA
SCHEMBL20140388 0.87 MTOR (0.47) MTORRPTORMLST8SLC27A1RET
SCHEMBL20141707 0.85 MTOR (0.47) MTORRPTORMLST8KDM4EPARP1
SCHEMBL20140541 0.84 MTOR (0.46) MTORRPTORMLST8SLC27A1ALDH1A1
SCHEMBL20139934 0.84 PPARG (0.47) MTORRPTORMLST8KDM4EHTT
SCHEMBL20159153 0.84 MTOR (0.61) MTORRPTORMLST8SLC27A1RET
SCHEMBL20140669 0.82 PARP1 (0.45) MTORRPTORMLST8KDM4ELMNA
SCHEMBL20157251 0.82 PARP1 (0.49) MTORRPTORMLST8KDM4ESMN1; SMN2
SCHEMBL20140021 0.82 PRKAA2 (0.42) MTORRPTORMLST8KDM4ESLC27A1
SCHEMBL20156970 0.81 PRKAA2 (0.47) MTORRPTORMLST8RETPARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed